2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H21N3O2S — CID 56866120

IUPAC2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C18H21N3O2S/c1-5-7-14-9-6-8-11(2)20(14)16(22)15-10-19-18-21(17(15)23)12(3)13(4)24-18/h5-6,8,10-11,14H,1,7,9H2,2-4H3/t11-,14-/m1/s1
InChIKeyQJEMWFGFNLGDJQ-BXUZGUMPSA-N
MW343.45 g/mol
LogP3.11
Rot. Bonds3

About 2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 56866120) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID56866120
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C18H21N3O2S/c1-5-7-14-9-6-8-11(2)20(14)16(22)15-10-19-18-21(17(15)23)12(3)13(4)24-18/h5-6,8,10-11,14H,1,7,9H2,2-4H3/t11-,14-/m1/s1
InChIKeyQJEMWFGFNLGDJQ-BXUZGUMPSA-N
XLogP3.11
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 56866120) is 2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cnc2sc(C)c(C)n2c1=O.
What is the InChIKey of 2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QJEMWFGFNLGDJQ-BXUZGUMPSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-5-7-14-9-6-8-11(2)20(14)16(22)15-10-19-18-21(17(15)23)12(3)13(4)24-18/h5-6,8,10-11,14H,1,7,9H2,2-4H3/t11-,14-/m1/s1.
What are the key properties of 2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 343.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 56866120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).